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6HUF
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BU of 6huf by Molmil
Coping with strong translational non-crystallographic symmetry and extreme anisotropy in molecular replacement with Phaser: human Rab27a
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-27A
Authors:Jamshidiha, M, Perez-Dorado, I, Murray, J.W, Tate, E.W, Cota, E, Read, R.J.
Deposit date:2018-10-08
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Coping with strong translational noncrystallographic symmetry and extreme anisotropy in molecular replacement with Phaser: human Rab27a.
Acta Crystallogr D Struct Biol, 75, 2019
1A1Q
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BU of 1a1q by Molmil
HEPATITIS C VIRUS NS3 PROTEINASE
Descriptor: NS3 PROTEINASE, ZINC ION
Authors:Love, R.A, Parge, H.E, Wickersham, J.A, Hostomsky, Z, Habuka, N, Moomaw, E.W, Adachi, T, Hostomska, Z.
Deposit date:1997-12-12
Release date:1998-03-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of hepatitis C virus NS3 proteinase reveals a trypsin-like fold and a structural zinc binding site.
Cell(Cambridge,Mass.), 87, 1996
1A5A
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BU of 1a5a by Molmil
CRYO-CRYSTALLOGRAPHY OF A TRUE SUBSTRATE, INDOLE-3-GLYCEROL PHOSPHATE, BOUND TO A MUTANT (ALPHAD60N) TRYPTOPHAN SYNTHASE ALPHA2BETA2 COMPLEX REVEALS THE CORRECT ORIENTATION OF ACTIVE SITE ALPHA GLU 49
Descriptor: POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, TRYPTOPHAN SYNTHASE (ALPHA CHAIN), ...
Authors:Rhee, S, Miles, E.W, Davies, D.R.
Deposit date:1998-02-12
Release date:1998-05-27
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cryo-crystallography of a true substrate, indole-3-glycerol phosphate, bound to a mutant (alphaD60N) tryptophan synthase alpha2beta2 complex reveals the correct orientation of active site alphaGlu49.
J.Biol.Chem., 273, 1998
1A5B
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BU of 1a5b by Molmil
CRYO-CRYSTALLOGRAPHY OF A TRUE SUBSTRATE, INDOLE-3-GLYCEROL PHOSPHATE, BOUND TO A MUTANT (ALPHA D60N) TRYPTOPHAN SYNTHASE ALPHA2BETA2 COMPLEX REVEALS THE CORRECT ORIENTATION OF ACTIVE SITE ALPHA GLU 49
Descriptor: INDOLE-3-GLYCEROL PHOSPHATE, POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Rhee, S, Miles, E.W, Davies, D.R.
Deposit date:1998-02-12
Release date:1998-05-27
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cryo-crystallography of a true substrate, indole-3-glycerol phosphate, bound to a mutant (alphaD60N) tryptophan synthase alpha2beta2 complex reveals the correct orientation of active site alphaGlu49.
J.Biol.Chem., 273, 1998
1CBV
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BU of 1cbv by Molmil
AN AUTOANTIBODY TO SINGLE-STRANDED DNA: COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF THE UNLIGANDED FAB AND A DEOXYNUCLEOTIDE-FAB COMPLEX
Descriptor: DNA (5'-D(*TP*TP*T)-3'), PROTEIN (FAB (BV04-01) AUTOANTIBODY-HEAVY CHAIN), PROTEIN (FAB (BV04-01) AUTOANTIBODY-LIGHT CHAIN)
Authors:Herron, J.N, He, X.M, Ballard, D.W, Blier, P.R, Pace, P.E, Bothwell, A.L.M, Voss Junior, E.W, Edmundson, A.B.
Deposit date:1993-03-16
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:An autoantibody to single-stranded DNA: comparison of the three-dimensional structures of the unliganded Fab and a deoxynucleotide-Fab complex.
Proteins, 11, 1991
5A28
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BU of 5a28 by Molmil
Leishmania major N-myristoyltransferase in complex with a chlorophenyl 1,3,4-oxadiazole inhibitor.
Descriptor: 4-(4-chloro-2-{5-[(trimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}phenoxy)piperidine, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ...
Authors:Rackham, M.D, Yu, Z, Brannigan, J.A, Heal, W.P, Paape, D, Barker, K.V, Wilkinson, A.J, Smith, D.F, Tate, E.W, Leatherbarrow, R.J.
Deposit date:2015-05-15
Release date:2016-03-23
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery of High Affinity Inhibitors of Leishmania Donovani N-Myristoyltransferase.
Medchemcomm, 6, 2015
5A27
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BU of 5a27 by Molmil
Leishmania major N-myristoyltransferase in complex with a chlorophenyl 1,2,4-oxadiazole inhibitor.
Descriptor: 5-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ...
Authors:Rackham, M.D, Yu, Z, Brannigan, J.A, Heal, W.P, Paape, D, Barker, K.V, Wilkinson, A.J, Smith, D.F, Tate, E.W, Leatherbarrow, R.J.
Deposit date:2015-05-15
Release date:2016-03-23
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Discovery of High Affinity Inhibitors of Leishmania Donovani N-Myristoyltransferase.
Medchemcomm, 6, 2015
1PXZ
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BU of 1pxz by Molmil
1.7 Angstrom Crystal Structure of jun a 1, the major allergen from cedar pollen
Descriptor: Major pollen allergen Jun a 1
Authors:Czerwinski, E.W, White, M.A, Midoro-Horiuti, T, Brooks, E.G, Goldblum, R.M.
Deposit date:2003-07-07
Release date:2004-11-16
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Jun a 1, the major cedar pollen allergen from Juniperus ashei, reveals a parallel beta-helical core.
J.Biol.Chem., 280, 2005
4FAB
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BU of 4fab by Molmil
THREE-DIMENSIONAL STRUCTURE OF A FLUORESCEIN-FAB COMPLEX CRYSTALLIZED IN 2-METHYL-2,4-PENTANEDIOL
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, IGG2A-KAPPA 4-4-20 FAB (HEAVY CHAIN), ...
Authors:Herron, J.N, He, X, Mason, M.L, Vossjunior, E.W, Edmundson, A.B.
Deposit date:1989-04-10
Release date:1990-07-15
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Three-dimensional structure of a fluorescein-Fab complex crystallized in 2-methyl-2,4-pentanediol.
Proteins, 5, 1989
6DNZ
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BU of 6dnz by Molmil
Trypanosoma brucei PRMT1 enzyme-prozyme heterotetrameric complex with AdoHcy
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arginine N-methyltransferase, putative, ...
Authors:Hashimoto, H, Kafkova, L, Jordan, K, Read, L.K, Debler, E.W.
Deposit date:2018-06-08
Release date:2019-06-12
Last modified:2020-02-12
Method:X-RAY DIFFRACTION (2.384 Å)
Cite:Structural Basis of Protein Arginine Methyltransferase Activation by a Catalytically Dead Homolog (Prozyme).
J.Mol.Biol., 432, 2020
6E5F
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BU of 6e5f by Molmil
Crystal structure of LpqN involved in cell envelope biogenesis of Mycobacterium tuberculosis
Descriptor: Lipid binding protein LpqN, alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside
Authors:Rajavel, M, Su, C.C, Yu, E.W.
Deposit date:2018-07-20
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structural and functional evidence that lipoprotein LpqN supports cell envelope biogenesis inMycobacterium tuberculosis.
J.Biol.Chem., 294, 2019
6E5D
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BU of 6e5d by Molmil
Crystal structure of LpqN involved in cell envelope biogenesis of Mycobacterium tuberculosis
Descriptor: Lipid binding protein LpqN
Authors:Rajavel, M, Su, C.C, Yu, E.W.
Deposit date:2018-07-20
Release date:2019-07-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and functional evidence that lipoprotein LpqN supports cell envelope biogenesis inMycobacterium tuberculosis.
J.Biol.Chem., 294, 2019
6EHJ
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BU of 6ehj by Molmil
Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and peptide bound
Descriptor: ASPARAGINE, COENZYME A, GLYCEROL, ...
Authors:Perez-Dorado, I, Ritzefeld, M, Tate, E.W.
Deposit date:2017-09-13
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation.
Nat Commun, 11, 2020
1UBS
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BU of 1ubs by Molmil
TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) WITH A MUTATION OF LYS 87->THR IN THE B SUBUNIT AND IN THE PRESENCE OF LIGAND L-SERINE
Descriptor: PYRIDOXAL-5'-PHOSPHATE, SERINE, SODIUM ION, ...
Authors:Rhee, S, Parris, K, Ahmed, S.A, Miles, E.W, Davies, D.R.
Deposit date:1995-12-14
Release date:1996-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of a mutant (betaK87T) tryptophan synthase alpha2beta2 complex with ligands bound to the active sites of the alpha- and beta-subunits reveal ligand-induced conformational changes.
Biochemistry, 36, 1997
5G20
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BU of 5g20 by Molmil
Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 19).
Descriptor: 6-(BENZYLOXY)-4-(ETHYLSULFANYL)-3-[(MORPHOLIN-4-YL), DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ...
Authors:Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W.
Deposit date:2016-04-06
Release date:2017-02-15
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
5G22
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BU of 5g22 by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a quinoline inhibitor (compound 26)
Descriptor: 2-oxopentadecyl-CoA, CHLORIDE ION, ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL), ...
Authors:Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W.
Deposit date:2016-04-06
Release date:2017-02-15
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
5I9J
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BU of 5i9j by Molmil
Structure of the cholesterol and lutein-binding domain of human STARD3 at 1.74A
Descriptor: 1,2-ETHANEDIOL, L(+)-TARTARIC ACID, SULFATE ION, ...
Authors:Horvath, M.P, Bernstein, P.S, Li, B, George, E.W, Tran, Q.T.
Deposit date:2016-02-20
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structure of the lutein-binding domain of human StARD3 at 1.74 angstrom resolution and model of a complex with lutein.
Acta Crystallogr.,Sect.F, 72, 2016
5JQU
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BU of 5jqu by Molmil
Crystal structure of Cytochrome P450 BM3 heme domain G265F/T269V/L272W/L322I/F405M/A406S (WIVS-FM) variant with iron(III) deuteroporphyrin IX bound
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, FE(III) DEUTEROPORPHYRIN IX
Authors:Reynolds, E.W, McHenry, M.W, Cannac, F, Gober, J.G, Snow, C.D, Brustad, E.M.
Deposit date:2016-05-05
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.162 Å)
Cite:An Evolved Orthogonal Enzyme/Cofactor Pair.
J.Am.Chem.Soc., 138, 2016
5JQV
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BU of 5jqv by Molmil
Crystal structure of Cytochrome P450 BM3 heme domain T269V/L272W/L322I/A406S (WIVS) variant with iron(III) deuteroporphyrin IX bound
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, FE(III) DEUTEROPORPHYRIN IX
Authors:Reynolds, E.W, McHenry, M.W, Cannac, F, Gober, J.G, Snow, C.D, Brustad, E.M.
Deposit date:2016-05-05
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:An Evolved Orthogonal Enzyme/Cofactor Pair.
J.Am.Chem.Soc., 138, 2016
7JZ2
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BU of 7jz2 by Molmil
Succinate: quinone oxidoreductase SQR from E.coli K12
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Lyu, M, Su, C.-C, Morgan, C.E, Bolla, J.R, Robinson, C.V, Yu, E.W.
Deposit date:2020-09-01
Release date:2021-01-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021
7JZ3
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BU of 7jz3 by Molmil
Osmoporin OmpC from E.coli K12
Descriptor: Outer membrane protein C
Authors:Lyu, M, Su, C, Morgan, C.E, Bolla, J.R, Robinson, C.V, Yu, E.W.
Deposit date:2020-09-01
Release date:2021-01-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021
1TTQ
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BU of 1ttq by Molmil
TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) IN THE PRESENCE OF POTASSIUM AT ROOM TEMPERATURE
Descriptor: POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, TRYPTOPHAN SYNTHASE
Authors:Rhee, S, Parris, K, Ahmed, S, Miles, E.W, Davies, D.R.
Deposit date:1995-10-11
Release date:1996-03-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exchange of K+ or Cs+ for Na+ induces local and long-range changes in the three-dimensional structure of the tryptophan synthase alpha2beta2 complex.
Biochemistry, 35, 1996
1TTP
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BU of 1ttp by Molmil
TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) IN THE PRESENCE OF CESIUM, ROOM TEMPERATURE
Descriptor: CESIUM ION, PYRIDOXAL-5'-PHOSPHATE, TRYPTOPHAN SYNTHASE
Authors:Rhee, S, Parris, K, Ahmed, S, Miles, E.W, Davies, D.R.
Deposit date:1995-10-11
Release date:1996-03-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Exchange of K+ or Cs+ for Na+ induces local and long-range changes in the three-dimensional structure of the tryptophan synthase alpha2beta2 complex.
Biochemistry, 35, 1996
7OPP
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BU of 7opp by Molmil
Crystal structure of the Rab27a fusion with Slp2a-RBDa1 effector for SF4 pocket drug targeting
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Synaptotagmin-like protein 2,Ras-related protein Rab-27A
Authors:Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E.
Deposit date:2021-06-01
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Identification of the first structurally validated covalent ligands of the small GTPase RAB27A.
Rsc Med Chem, 13, 2022
7OPR
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BU of 7opr by Molmil
Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CB1 in C123
Descriptor: GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E.
Deposit date:2021-06-01
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Identification of the first structurally validated covalent ligands of the small GTPase RAB27A.
Rsc Med Chem, 13, 2022

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